UCSF

ZINC31854505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 6.29 -75.5 1 5 0 65 212.249 3
Mid Mid (pH 6-8) -0.30 4.07 -57.44 0 5 -1 64 211.241 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )